2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole

C5H4F4N2 — CID 57279273

IUPAC2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole
SMILESFC(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C5H4F4N2/c6-3(5(7,8)9)4-10-1-2-11-4/h1-3H,(H,10,11)
InChIKeyVHWNGHINZCTIFT-UHFFFAOYSA-N
MW168.09 g/mol
LogP1.98
Rot. Bonds1

About 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole

2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole (PubChem CID 57279273) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole
PubChem CID57279273
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole
SMILESFC(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C5H4F4N2/c6-3(5(7,8)9)4-10-1-2-11-4/h1-3H,(H,10,11)
InChIKeyVHWNGHINZCTIFT-UHFFFAOYSA-N
XLogP1.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole?
The IUPAC name of 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole (CID 57279273) is 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole.
What is the SMILES notation for 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole?
The canonical SMILES for 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole is FC(c1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole?
The InChIKey is VHWNGHINZCTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c6-3(5(7,8)9)4-10-1-2-11-4/h1-3H,(H,10,11).
What are the key properties of 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole?
2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole has a molecular weight of 168.09 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetrafluoroethyl)-1H-imidazole is sourced from PubChem (CID 57279273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).